316 related articles for article (PubMed ID: 28586209)
1. Ab Initio Prediction of Adsorption Isotherms for Gas Mixtures by Grand Canonical Monte Carlo Simulations on a Lattice of Sites.
Kundu A; Sillar K; Sauer J
J Phys Chem Lett; 2017 Jun; 8(12):2713-2718. PubMed ID: 28586209
[TBL] [Abstract][Full Text] [Related]
2. Predicting adsorption selectivities from pure gas isotherms for gas mixtures in metal-organic frameworks.
Kundu A; Sillar K; Sauer J
Chem Sci; 2019 Dec; 11(3):643-655. PubMed ID: 34123036
[TBL] [Abstract][Full Text] [Related]
3. Separation of CO2 from CH4 using mixed-ligand metal-organic frameworks.
Bae YS; Mulfort KL; Frost H; Ryan P; Punnathanam S; Broadbelt LJ; Hupp JT; Snurr RQ
Langmuir; 2008 Aug; 24(16):8592-8. PubMed ID: 18616225
[TBL] [Abstract][Full Text] [Related]
4. Ab initio prediction of adsorption isotherms for small molecules in metal-organic frameworks: the effect of lateral interactions for methane/CPO-27-Mg.
Sillar K; Sauer J
J Am Chem Soc; 2012 Nov; 134(44):18354-65. PubMed ID: 22970649
[TBL] [Abstract][Full Text] [Related]
5. First principles Monte Carlo simulations of unary and binary adsorption: CO
Fetisov EO; Shah MS; Long JR; Tsapatsis M; Siepmann JI
Chem Commun (Camb); 2018 Sep; 54(77):10816-10819. PubMed ID: 30152487
[TBL] [Abstract][Full Text] [Related]
6. Molecular simulations of the adsorption and separation of hydrogen sulfide, carbon dioxide, methane, and nitrogen and their binary mixtures (H
Amouzad Khalili A; Yeganegi S
J Mol Model; 2021 Apr; 27(5):133. PubMed ID: 33893884
[TBL] [Abstract][Full Text] [Related]
7. Insights into the Gas Adsorption Mechanisms in Metal-Organic Frameworks from Classical Molecular Simulations.
Pham T; Space B
Top Curr Chem (Cham); 2020 Jan; 378(1):14. PubMed ID: 31933069
[TBL] [Abstract][Full Text] [Related]
8. A Rational Design of Microporous Nitrogen-Rich Lanthanide Metal-Organic Frameworks for CO
Mohan M; Essalhi M; Durette D; Rana LK; Ayevide FK; Maris T; Duong A
ACS Appl Mater Interfaces; 2020 Nov; 12(45):50619-50627. PubMed ID: 33103881
[TBL] [Abstract][Full Text] [Related]
9. Adsorption and separation of binary and ternary mixtures of SO2, CO2 and N2 by ordered carbon nanotube arrays: grand-canonical Monte Carlo simulations.
Rahimi M; Singh JK; Müller-Plathe F
Phys Chem Chem Phys; 2016 Feb; 18(5):4112-20. PubMed ID: 26780490
[TBL] [Abstract][Full Text] [Related]
10. Solvent-Directed Construction of a Nanoporous Metal-Organic Framework with Potential in Selective Adsorption and Separation of Gas Mixtures Studied by Grand Canonical Monte Carlo Simulations.
Salimi S; Akhbari K; Farnia SMF; Tylianakis E; Froudakis GE; White JM
Chempluschem; 2024 Jan; 89(1):e202300455. PubMed ID: 37864516
[TBL] [Abstract][Full Text] [Related]
11. Effect of Pressure and Temperature on CO
Kang G; Zhang B; Kang T; Guo J; Zhao G
Materials (Basel); 2020 Jun; 13(12):. PubMed ID: 32630468
[TBL] [Abstract][Full Text] [Related]
12. Computational study of adsorption and separation of CO2, CH4, and N2 by an rht-type metal-organic framework.
Zhang Z; Li Z; Li J
Langmuir; 2012 Aug; 28(33):12122-33. PubMed ID: 22849864
[TBL] [Abstract][Full Text] [Related]
13. Macroscopic and Microscopic View of Competitive and Cooperative Adsorption of Alcohol Mixtures on ZIF-8.
Claessens B; Martin-Calvo A; Gutiérrez-Sevillano JJ; Dubois N; Denayer JFM; Cousin-Saint-Remi J
Langmuir; 2019 Mar; 35(11):3887-3896. PubMed ID: 30789276
[TBL] [Abstract][Full Text] [Related]
14. Gas adsorption in active carbons and the slit-pore model 2: Mixture adsorption prediction with DFT and IAST.
Sweatman MB; Quirke N
J Phys Chem B; 2005 May; 109(20):10389-94. PubMed ID: 16852259
[TBL] [Abstract][Full Text] [Related]
15. Theoretical simulation of CO
Gao J; Li W; Zhang J
J Comput Chem; 2017 Apr; 38(9):612-619. PubMed ID: 28164345
[TBL] [Abstract][Full Text] [Related]
16. Binary gas mixture adsorption-induced deformation of microporous carbons by Monte Carlo simulation.
Cornette V; de Oliveira JCA; Yelpo V; Azevedo D; López RH
J Colloid Interface Sci; 2018 Jul; 522():291-298. PubMed ID: 29604448
[TBL] [Abstract][Full Text] [Related]
17. Lattice-gas Monte Carlo study of adsorption in pores.
Trasca RA; Calbi MM; Cole MW; Riccardo JL
Phys Rev E Stat Nonlin Soft Matter Phys; 2004 Jan; 69(1 Pt 1):011605. PubMed ID: 14995631
[TBL] [Abstract][Full Text] [Related]
18. Theoretical investigation of hydrogen sulfide capture from methane binary mixture using s-heptazine-based metal-organic framework.
Essalhi M; Ferhi N; Abidi A
J Mol Model; 2024 Feb; 30(3):79. PubMed ID: 38386134
[TBL] [Abstract][Full Text] [Related]
19. Honeycomb Metal-Organic Framework with Lewis Acidic and Basic Bifunctional Sites: Selective Adsorption and CO
Li XY; Ma LN; Liu Y; Hou L; Wang YY; Zhu Z
ACS Appl Mater Interfaces; 2018 Apr; 10(13):10965-10973. PubMed ID: 29565563
[TBL] [Abstract][Full Text] [Related]
20. Monte Carlo Simulations Probing the Adsorptive Separation of Hydrogen Sulfide/Methane Mixtures Using All-Silica Zeolites.
Shah MS; Tsapatsis M; Siepmann JI
Langmuir; 2015 Nov; 31(44):12268-78. PubMed ID: 26473306
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]